N-[(3-methyl-4-pyridinyl)methyl]-1H-pyrazole-4-sulfonamide

C10H12N4O2S — CID 114701597

IUPACN-[(3-methyl-4-pyridinyl)methyl]-1H-pyrazole-4-sulfonamide
SMILESCc1cnccc1CNS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C10H12N4O2S/c1-8-4-11-3-2-9(8)5-14-17(15,16)10-6-12-13-7-10/h2-4,6-7,14H,5H2,1H3,(H,12,13)
InChIKeyZIAQIIQKVBFPBL-UHFFFAOYSA-N
MW252.30 g/mol
LogP0.59
Rot. Bonds4

About N-[(3-methyl-4-pyridinyl)methyl]-1H-pyrazole-4-sulfonamide

N-[(3-methyl-4-pyridinyl)methyl]-1H-pyrazole-4-sulfonamide (PubChem CID 114701597) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is N-[(3-methyl-4-pyridinyl)methyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(3-methyl-4-pyridinyl)methyl]-1H-pyrazole-4-sulfonamide
PubChem CID114701597
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC NameN-[(3-methyl-4-pyridinyl)methyl]-1H-pyrazole-4-sulfonamide
SMILESCc1cnccc1CNS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C10H12N4O2S/c1-8-4-11-3-2-9(8)5-14-17(15,16)10-6-12-13-7-10/h2-4,6-7,14H,5H2,1H3,(H,12,13)
InChIKeyZIAQIIQKVBFPBL-UHFFFAOYSA-N
XLogP0.59
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-hydroxyethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114701636
4-(2-chloroethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114701663
3-bromo-4-chloro-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 106546814
4-(cyanomethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114700456
N-[(2-chlorophenyl)methyl]-1H-pyrazole-4-sulfonamide
CID 54934551
3-(methylaminomethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 106083517
4-amino-2,6-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114698288
3-(aminomethyl)-4-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114699441
3-[(3-methyl-4-pyridinyl)methylsulfamoyl]benzoic acid
CID 114698508
N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide
CID 62050076
N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 47372067
N-[(2,5-difluorophenyl)methyl]-1H-pyrazole-4-sulfonamide
CID 63373518

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-4-pyridinyl)methyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[(3-methyl-4-pyridinyl)methyl]-1H-pyrazole-4-sulfonamide (CID 114701597) is N-[(3-methyl-4-pyridinyl)methyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[(3-methyl-4-pyridinyl)methyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[(3-methyl-4-pyridinyl)methyl]-1H-pyrazole-4-sulfonamide is Cc1cnccc1CNS(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-[(3-methyl-4-pyridinyl)methyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is ZIAQIIQKVBFPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c1-8-4-11-3-2-9(8)5-14-17(15,16)10-6-12-13-7-10/h2-4,6-7,14H,5H2,1H3,(H,12,13).
What are the key properties of N-[(3-methyl-4-pyridinyl)methyl]-1H-pyrazole-4-sulfonamide?
N-[(3-methyl-4-pyridinyl)methyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 252.30 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-4-pyridinyl)methyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 114701597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).